UCSF

ZINC20898980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.92 5.03 -48.23 1 8 -1 100 387.441 3
Lo Low (pH 4.5-6) 0.46 6.08 -15.99 2 8 0 96 388.449 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )